ArticleFrontiers in pharmacology2026
3D-QSAR study for the development of chalcone-based inhibitors targeting ovarian cancer cells with experimental validation.
Article in Frontiers in pharmacology, 2026. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 2 papers.
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Who cites it
2 citing papers in PubMed.
- Design and biological evaluation of sulfonamide-chalcone hybrids with in vitro tumor-selective cytotoxicity against oral squamous cell carcinoma: SAR, QSAR, and in silico ADME studies.Medicinal chemistry research : an international journal for rapid communications on design and mechanisms of action of biologically active agents · 2026Article
- Molecular modeling design of antitrypanosomal pyrazolone derivatives targeting Chagas disease: QSAR, docking, molecular dynamics and free energy calculations.Journal of molecular modeling · 2026Article
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Authors and funding
8 authors.
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Abstract
Background: Ovarian cancer remains one of the most lethal gynecological malignancies, mainly due to late-stage diagnosis and frequent chemoresistance. Purpose: This study sought to develop 3D-QSAR models-Comparative Molecular Field and Similarity Index Analysis (CoMFA and CoMSIA)-to predict the antiproliferative activity of synthetic chalcone derivatives against A2780 ovarian cancer cells and to explore potential mechanisms of action through antioxidant response biomarkers. Materials and Methods: CoMFA and CoMSIA models were developed using a dataset of 64 chalcone derivatives and validated using q Results and Discussion: The CoMFA and CoMSIA models demonstrated strong predictive performance (q Conclusion: CoMFA and CoMSIA models accurately predicted the activity of synthetic chalcones, and the biological findings identify these derivatives as promising candidates for the treatment of ovarian cancer, including chemoresistant forms.
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